2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide

C22H29N3O2 — CID 112502701

IUPAC2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(2)24-12-14-25(15-13-24)20-8-6-19(7-9-20)23-22(26)16-27-21-10-4-18(3)5-11-21/h4-11,17H,12-16H2,1-3H3,(H,23,26)
InChIKeyKUASUENCLWMCPT-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.54
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide

2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide (PubChem CID 112502701) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
PubChem CID112502701
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(2)24-12-14-25(15-13-24)20-8-6-19(7-9-20)23-22(26)16-27-21-10-4-18(3)5-11-21/h4-11,17H,12-16H2,1-3H3,(H,23,26)
InChIKeyKUASUENCLWMCPT-UHFFFAOYSA-N
XLogP3.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride
CID 163326658
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-butan-2-ylphenoxy)-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 23098501
2-(4-bromophenoxy)-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2948180
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3161431
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 3161566
2-(4-tert-butylphenoxy)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 4262797
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 23740687
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112980491
2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 2950672
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide (CID 112502701) is 2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is KUASUENCLWMCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(2)24-12-14-25(15-13-24)20-8-6-19(7-9-20)23-22(26)16-27-21-10-4-18(3)5-11-21/h4-11,17H,12-16H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide?
2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 112502701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).